2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide

C24H31ClN6O2 — CID 138542721

IUPAC2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(Nc1nccc(N2C(=O)NCC2C(C)C)n1)c1ccc(C(=O)NC2CCCC2)c(Cl)c1
InChIInChI=1S/C24H31ClN6O2/c1-14(2)20-13-27-24(33)31(20)21-10-11-26-23(30-21)28-15(3)16-8-9-18(19(25)12-16)22(32)29-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,27,33)(H,29,32)(H,26,28,30)
InChIKeyGGTRTQDDIHJAPY-UHFFFAOYSA-N
MW471.01 g/mol
LogP4.53
Rot. Bonds7

About 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide

2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 138542721) has the molecular formula C24H31ClN6O2 and a molecular weight of 471.01 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID138542721
Molecular FormulaC24H31ClN6O2
Molecular Weight471.01 g/mol
Exact Mass470.22
IUPAC Name2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(Nc1nccc(N2C(=O)NCC2C(C)C)n1)c1ccc(C(=O)NC2CCCC2)c(Cl)c1
InChIInChI=1S/C24H31ClN6O2/c1-14(2)20-13-27-24(33)31(20)21-10-11-26-23(30-21)28-15(3)16-8-9-18(19(25)12-16)22(32)29-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,27,33)(H,29,32)(H,26,28,30)
InChIKeyGGTRTQDDIHJAPY-UHFFFAOYSA-N
XLogP4.53
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.01
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 160573985
CID 160573985
2-chloro-N-cyclopentyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 71542388
2-fluoro-N-(4-hydroxycyclohexyl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 78104823
2-chloro-N-cyclopentyl-4-[1-[[4-[(5S)-2-oxo-5-propan-2-ylimidazolidin-1-yl]pyrimidin-2-yl]amino]ethyl]benzamide;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1R)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[5-(3-chlorophenyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one;(5S)-4,4-dideuterio-3-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 160500904
2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 89489947
(4S)-3-[2-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
(4S)-3-[2-[[(1S)-1-(3-chloro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164929002
(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 137440064
N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 89479107
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4S)-3-[2-[[(1S)-1-[3-fluoro-4-[2-(4-hydroxycyclohexyl)acetyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 160979937
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide (CID 138542721) is 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide is CC(Nc1nccc(N2C(=O)NCC2C(C)C)n1)c1ccc(C(=O)NC2CCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is GGTRTQDDIHJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2/c1-14(2)20-13-27-24(33)31(20)21-10-11-26-23(30-21)28-15(3)16-8-9-18(19(25)12-16)22(32)29-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,27,33)(H,29,32)(H,26,28,30).
What are the key properties of 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 471.01 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-4-[1-[[4-(2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 138542721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).